Source code for gmso.core.angle

import warnings

from gmso.core.connection import Connection
from gmso.core.angle_type import AngleType
from gmso.exceptions import GMSOError

[docs]class Angle(Connection): """A 3-partner connection between sites. This is a subclass of the gmso.Connection superclass. This class has strictly 3 members in its connection members. The connection_type in this class corresponds to gmso.AngleType. Parameters ---------- connection_members: list of gmso.Site 3 sites of an angle. connection_type : gmso.AngleType, optional, default=None AngleType of this angle. name : str, optional, default="Angle" Name of the angle. Notes ----- Inherits some methods from Connection: __eq__, __repr__, _validate methods Additional _validate methods are presented """ def __init__(self, connection_members=[], connection_type=None, name="Angle"): connection_members = _validate_three_partners(connection_members) connection_type = _validate_angletype(connection_type) super(Angle, self).__init__(connection_members=connection_members, connection_type=connection_type, name=name)
def _validate_three_partners(connection_members): """Ensure 3 partners are involved in Angle""" assert connection_members is not None, "connection_members is not given" if len(connection_members) != 3: raise GMSOError("Trying to create an Angle " "with {} connection members". format(len(connection_members))) return connection_members def _validate_angletype(contype): """Ensure connection_type is a AngleType """ if contype is None: warnings.warn("Non-parametrized Angle detected") elif not isinstance(contype, AngleType): raise GMSOError("Supplied non-AngleType {}".format(contype)) return contype